4-(4-cyclohexylidenecyclohexylidene)thiane

C17H26S — CID 10084084

IUPAC4-(4-cyclohexylidenecyclohexylidene)thiane
SMILESC1CCC(=C2CCC(=C3CCSCC3)CC2)CC1
InChIInChI=1S/C17H26S/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-13H2
InChIKeyGPIWYBNAWRVECI-UHFFFAOYSA-N
MW262.46 g/mol
LogP5.64
Rot. Bonds

About 4-(4-cyclohexylidenecyclohexylidene)thiane

4-(4-cyclohexylidenecyclohexylidene)thiane (PubChem CID 10084084) has the molecular formula C17H26S and a molecular weight of 262.46 g/mol. Its IUPAC name is 4-(4-cyclohexylidenecyclohexylidene)thiane.

Molecular Properties

Compound Name4-(4-cyclohexylidenecyclohexylidene)thiane
PubChem CID10084084
Molecular FormulaC17H26S
Molecular Weight262.46 g/mol
Exact Mass262.18
IUPAC Name4-(4-cyclohexylidenecyclohexylidene)thiane
SMILESC1CCC(=C2CCC(=C3CCSCC3)CC2)CC1
InChIInChI=1S/C17H26S/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-13H2
InChIKeyGPIWYBNAWRVECI-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylidenecyclohexylidene)thiane?
The IUPAC name of 4-(4-cyclohexylidenecyclohexylidene)thiane (CID 10084084) is 4-(4-cyclohexylidenecyclohexylidene)thiane.
What is the SMILES notation for 4-(4-cyclohexylidenecyclohexylidene)thiane?
The canonical SMILES for 4-(4-cyclohexylidenecyclohexylidene)thiane is C1CCC(=C2CCC(=C3CCSCC3)CC2)CC1.
What is the InChIKey of 4-(4-cyclohexylidenecyclohexylidene)thiane?
The InChIKey is GPIWYBNAWRVECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26S/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-13H2.
What are the key properties of 4-(4-cyclohexylidenecyclohexylidene)thiane?
4-(4-cyclohexylidenecyclohexylidene)thiane has a molecular weight of 262.46 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylidenecyclohexylidene)thiane is sourced from PubChem (CID 10084084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).